* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    147    231     417
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02115   104.61614   -33.67993
    3     1 S   H    _H1_     3     1.02054    68.01573    70.91613
    4     1 S   H    _H2_     4     1.02165    44.92366  -135.62142
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C14    36     1.84156    97.55846   161.84626
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C7_    37     1.52983   108.70264   179.98022
   38    33 S   NT   _N19    75     1.46527   110.17807   -56.46439
   39    38 S   H    _H42    76     0.99402   117.81276   -38.14849
   40    38 S   H    _H43    77     0.99552   117.81232   155.30879
   41    37 S   CMA  _C6_    38     1.36305   123.47762  -103.30040
   42    41 S   OM   _O20    39     1.26257   130.15166  -177.03740
   43    37 S   CT   _C16    71     1.52189   115.57212    77.86380
   44    43 S   HC   _H31    72     1.08021   108.36971   -91.11308
   45    43 S   HC   _H32    73     1.08116   108.40862   148.73415
   46    43 S   HC   _H33    74     1.08087   108.40660    29.06456
   47    41 S   CM   _C5_    40     1.46975   117.84710     0.78509
   48    47 S   CM   _C4_    41     1.34357   123.47969    -9.80083
   49    33 S   CO4  _C8_    42     1.53504   105.67922    58.01847
   50    49 S   O    _O21    43     1.22987   122.92141   -78.41779
   51    48 S   CT   _C11    44     1.51337   113.45465  -178.98876
   52    51 S   HC   _H28    45     1.09750   108.86490   122.78214
   53    51 S   CO   _C15    46     1.55335   101.37393     7.30842
   54    51 S   CT   _C18    62     1.52545   111.90657  -117.39773
   55    54 S   HC   _H37    63     1.08969   109.99382   159.99174
   56    54 S   HC   _H38    64     1.09046   109.95487    39.00283
   57    53 S   C3T  _C13    47     1.49712   120.06379  -126.68641
   58    57 S   HC   _H30    48     1.07954   116.51246   -93.31505
   59    53 S   OS   _O24    57     1.42755   108.83834   106.26502
   60    54 S   OS   _O23    65     1.41613   108.53635   -80.49577
   61    57 S   C3T  _C12    49     1.49446   107.24496   128.43321
   62    61 S   HC   _H29    50     1.07705   120.97324   134.83350
   63    59 S   CT   _C17    58     1.41845   111.28578  -159.98967
   64    63 S   HC   _H34    59     1.09314   109.51883  -179.94065
   65    63 S   HC   _H35    60     1.09238   109.55731    59.18630
   66    63 S   HC   _H36    61     1.09283   108.96974   -60.41415
   67    60 S   CO4  _C9_    66     1.37096   116.30437   179.96574
   68    67 S   O    _O22    67     1.22684   124.71079     0.01978
   69    61 S   CT   _C10    51     1.50079   109.53536    -5.62246
   70    69 S   HC   _H26    52     1.09448   110.53766   114.06315
   71    69 S   HC   _H27    53     1.09572   110.32450  -124.69636
   72    57 S   NTH  _N16    55     1.46130   123.00444    64.82447
   73    72 S   H    _H39    56     1.01821   111.24798   -10.88806
   74    67 S   N    _N18    68     1.37336   111.02085  -179.97202
   75    74 S   H    _H40    69     1.01401   119.29597  -179.96574
   76    74 S   H    _H41    70     1.01431   121.33356    -0.01978
   77    47 S   NE   _N17    54     1.39527   128.12833   172.08324
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   2   1   1  14   7   2   1  12   4   5   2   1   1  14  13
   6   1  15   8  19   9   3   2  11   7   8   5   7   6   4   2
   1   1   4   3   5   3   2   2   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    48    49    50    43    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    48    49    50    51    43    44    45    46    38    39    40  
   35    36  
   36  
    0  
   41    42    47    48    49    50    77    43    44    45    46    38    39    40  
   39    40    41    43    48    49    50  
   40    49  
   49  
   42    47    48    49    51    53    69    77    43    44    45    46  
   47    48    77    43  
   44    45    46    47    49  
   45    46  
   46  
    0  
   48    49    50    51    52    53    57    61    69    70    71    77    59    54  
   49    50    51    52    53    57    69    77    59    54    55    56    60  
   50    51    52    53    77    54  
   51  
   52    53    57    58    61    69    77    72    59    63    54    55    56    60    67  
   53    57    77    59    54    55    56    60  
   57    58    61    62    69    70    71    77    72    73    59    63    64    65    66    54    55    56    60  
   55    56    60    67    68    74    57    59    77  
   56    60    67  
   60    67  
   58    61    62    69    70    71    77    72    73    59    63  
   61    62    69    77    72    73    59  
   63    64    65    66    61    69    72    77  
   67    68    74    75    76  
   62    69    70    71    77    72    73  
   69    70    71    77    72    73  
   64    65    66    77  
   65    66  
   66  
    0  
   68    74    75    76  
   74    75    76  
   70    71    77    72    73  
   71    77    72  
   77    72  
   73    77  
    0  
   75    76  
   76  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.347500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   39   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   69   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   76   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   77   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   317.000  1.522
   33    38   382.000  1.448
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    47   465.000  1.376
   47    48   549.000  1.340
   47    77   425.000  1.378
   48    49   320.000  1.462
   48    51   317.000  1.510
   49    50   570.000  1.229
   51    52   340.000  1.090
   51    53   250.000  1.527
   51    54   268.000  1.529
   53    57   275.000  1.510
   53    77   320.000  1.442
   53    59   320.000  1.380
   57    58   340.000  1.088
   57    61   260.000  1.509
   57    72   315.000  1.448
   61    62   340.000  1.088
   61    69   275.000  1.510
   61    72   315.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   382.000  1.448
   72    73   500.000  1.015
   59    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   320.000  1.410
   60    67   214.000  1.327
   67    68   570.000  1.229
   67    74   435.000  1.380
   74    75   434.000  1.010
   74    76   434.000  1.010
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   434.000  1.010
   38    40   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  110.18000
   29    33    38    85.00000  109.00000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    49    48    65.00000  118.62400
   33    49    50    80.00000  120.40000
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    47    70.00000  123.01800
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    47    48    70.00000  117.34000
   41    47    77    70.00000  124.03900
   47    41    42    65.00000  137.10300
   47    48    49    65.00000  118.96000
   47    48    51    70.00000  124.00000
   47    77    53    50.00000  121.00000
   47    77    69    50.00000  121.00000
   48    49    50    80.00000  123.72100
   48    51    52    35.00000  109.50000
   48    51    53    70.00000  112.02700
   48    51    54    70.00000  112.02700
   49    33    37    70.00000  109.06800
   51    48    49    65.00000  116.34900
   51    53    57    65.00000  112.71400
   51    53    77    85.00000  109.98000
   51    53    59    90.00000  108.56700
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    60    50.00000  109.50000
   53    51    52    45.00000  108.72000
   53    57    58    40.00000  115.04500
   53    57    61    60.00000  120.94000
   53    57    72    80.00000  104.84000
   53    77    69    50.00000  115.00000
   53    59    63    60.00000  109.50000
   57    61    62    37.50000  117.20000
   57    61    69    60.00000  120.94000
   57    61    72    30.00000   60.00000
   57    72    61    10.00000   60.00000
   57    72    73    50.00000  109.23200
   61    57    58    37.50000  117.20000
   61    69    70    45.00000  109.38400
   61    69    71    45.00000  109.38400
   61    69    77    80.00000  111.61500
   61    72    73    50.00000  109.23200
   69    61    62    40.00000  115.04500
   71    69    70    33.00000  107.80000
   77    47    48    70.00000  124.03900
   77    53    57    85.00000  109.98000
   77    69    70    35.00000  109.50000
   77    69    71    35.00000  109.50000
   72    57    58    50.00000  110.59500
   72    57    61    30.00000   60.00000
   72    61    62    50.00000  110.59500
   72    61    69    80.00000  111.29100
   59    53    57    90.00000  108.56700
   59    53    77    95.00000  112.71300
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    75.00000  109.43000
   54    60    67    83.00000  116.90000
   56    54    55    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    56    35.00000  109.50000
   60    67    68    83.00000  123.40000
   60    67    74   110.00000  108.75700
   67    74    75    50.00000  116.34900
   67    74    76    50.00000  116.34900
   74    67    68    85.00000  125.96000
   76    74    75    35.00000  120.00000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   38    33    37    75.00000  110.70900
   38    33    49    75.00000  112.82000
   40    38    39    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    49    48   0.65300  1.0 1.0
   29    33    49    48  -0.03850 -1.0 2.0
   29    33    49    48   0.33900  1.0 3.0
   29    33    49    50   0.30150 -1.0 2.0
   29    33    38    39  -0.05900  1.0 1.0
   29    33    38    39   0.08350 -1.0 2.0
   29    33    38    39   0.12500  1.0 3.0
   29    33    38    40  -0.05900  1.0 1.0
   29    33    38    40   0.08350 -1.0 2.0
   29    33    38    40   0.12500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   37    33    49    48   0.65300  1.0 1.0
   37    33    49    48  -0.03850 -1.0 2.0
   37    33    49    48   0.33900  1.0 3.0
   37    33    49    50   0.30150 -1.0 2.0
   37    33    38    39   0.12450  1.0 1.0
   37    33    38    39  -0.40750 -1.0 2.0
   37    33    38    39   0.30300  1.0 3.0
   37    33    38    40   0.12450  1.0 1.0
   37    33    38    40  -0.40750 -1.0 2.0
   37    33    38    40   0.30300  1.0 3.0
   37    41   -47    48   7.00000 -1.0 2.0
   37    41    47    77   7.00000 -1.0 2.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    47    48    49   7.00000 -1.0 2.0
   41    47    48    51   7.00000 -1.0 2.0
   41    47    77    53  -0.54700  1.0 1.0
   41    47    77    53   1.23000 -1.0 2.0
   41    47    77    69  -0.54700  1.0 1.0
   41    47    77    69   1.23000 -1.0 2.0
   42    41    47    48   7.00000 -1.0 2.0
   42    41    47    77   7.00000 -1.0 2.0
   47    48   -49    33  -0.33500  1.0 1.0
   47    48   -49    33   1.06600 -1.0 2.0
   47    48   -49    33  -0.14000  1.0 3.0
   47    48    49    50   1.00000 -1.0 2.0
   47    48    51    52   0.00000  1.0 1.0
   47    48   -51    53   0.09850  1.0 1.0
   47    48   -51    53   0.15250 -1.0 2.0
   47    48   -51    53  -0.50650  1.0 3.0
   47    48    51    54   0.09850  1.0 1.0
   47    48    51    54   0.15250 -1.0 2.0
   47    48    51    54  -0.50650  1.0 3.0
   48    47   -77    53  -0.54700  1.0 1.0
   48    47   -77    53   1.23000 -1.0 2.0
   48    47    77    69  -0.54700  1.0 1.0
   48    47    77    69   1.23000 -1.0 2.0
   48    51    53    57   0.34400  1.0 1.0
   48    51    53    57   0.09450 -1.0 2.0
   48    51    53    57   0.11100  1.0 3.0
   48    51   -53    77   0.21700  1.0 1.0
   48    51   -53    77   0.68550 -1.0 2.0
   48    51   -53    77  -0.27950  1.0 3.0
   48    51    53    59   0.61850  1.0 1.0
   48    51    53    59  -0.22750 -1.0 2.0
   48    51    53    59   0.15300  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51    54    60   0.61850  1.0 1.0
   48    51    54    60  -0.22750 -1.0 2.0
   48    51    54    60   0.15300  1.0 3.0
   49    33   -37    41  -0.51250  1.0 1.0
   49    33   -37    41  -0.88800 -1.0 2.0
   49    33   -37    41   0.08850  1.0 3.0
   49    33    37    43   0.17250  1.0 1.0
   49    33    37    43  -0.04100 -1.0 2.0
   49    33    37    43  -0.33850  1.0 3.0
   49    33    38    39   0.21900  1.0 1.0
   49    33    38    39  -0.24900 -1.0 2.0
   49    33    38    39   0.15200  1.0 3.0
   49    33    38    40   0.21900  1.0 1.0
   49    33    38    40  -0.24900 -1.0 2.0
   49    33    38    40   0.15200  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.09700  1.0 1.0
   49    48    51    53   0.15600 -1.0 2.0
   49    48    51    53  -0.50800  1.0 3.0
   49    48    51    54   0.09700  1.0 1.0
   49    48    51    54   0.15600 -1.0 2.0
   49    48    51    54  -0.50800  1.0 3.0
   51    48    49    33   0.25700  1.0 1.0
   51    48    49    33   0.66200 -1.0 2.0
   51    48    49    33   0.04450  1.0 3.0
   51    48    49    50  -0.64400  1.0 1.0
   51    48    49    50   0.26850 -1.0 2.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    61   0.07850  1.0 1.0
   51    53    57    61  -0.03950 -1.0 2.0
   51    53    57    61   0.67350  1.0 3.0
   51    53    57    72   1.53400  1.0 1.0
   51    53    57    72  -0.09950 -1.0 2.0
   51    53    57    72   0.05700  1.0 3.0
   51    53   -77    47   0.25450  1.0 1.0
   51    53   -77    47  -0.61700 -1.0 2.0
   51    53   -77    47  -0.23550  1.0 3.0
   51    53    77    69   0.00000  1.0 1.0
   51    53    59    63   0.06250  1.0 1.0
   51    53    59    63  -0.01100 -1.0 2.0
   51    53    59    63   0.28050  1.0 3.0
   51    54    60    67  -0.25900  1.0 1.0
   51    54    60    67  -0.47000 -1.0 2.0
   51    54    60    67   0.11750  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    77   0.22950  1.0 3.0
   52    51    53    59   0.23400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    60   0.23400  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    60   0.62750  1.0 1.0
   53    51    54    60  -0.30950 -1.0 2.0
   53    51    54    60   0.27300  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57   -61    69   3.97050  1.0 1.0
   53    57   -61    72   1.53400  1.0 1.0
   53    57   -61    72  -0.09950 -1.0 2.0
   53    57   -61    72   0.05700  1.0 3.0
   53    57   -72    61  -0.35450  1.0 1.0
   53    57   -72    61   0.44050 -1.0 2.0
   53    57   -72    61   0.77100  1.0 3.0
   53    57    72    73   0.03200  1.0 1.0
   53    57    72    73   0.33800 -1.0 2.0
   53    59    63    64   0.37050  1.0 3.0
   53    59    63    65   0.37050  1.0 3.0
   53    59    63    66   0.37050  1.0 3.0
   57    53    77    47   0.25450  1.0 1.0
   57    53    77    47  -0.61700 -1.0 2.0
   57    53    77    47  -0.23550  1.0 3.0
   57    53   -77    69   0.00000  1.0 1.0
   57    53    59    63   0.06250  1.0 1.0
   57    53    59    63  -0.01100 -1.0 2.0
   57    53    59    63   0.28050  1.0 3.0
   57    61    69    70   0.15000  1.0 3.0
   57    61    69    71   0.15000  1.0 3.0
   57    61   -69    77   1.26750  1.0 1.0
   57    61   -69    77  -0.00950 -1.0 2.0
   57    61   -69    77   0.30600  1.0 3.0
   57    61   -72    73   0.03200  1.0 1.0
   57    61   -72    73   0.33800 -1.0 2.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    69   0.15000  1.0 3.0
   58    57   -61    72   0.15000  1.0 3.0
   58    57   -72    61   0.28000  1.0 3.0
   58    57    72    73   0.20000  1.0 3.0
   61    57   -72    73   0.03200  1.0 1.0
   61    57   -72    73   0.33800 -1.0 2.0
   61    69    77    47   0.25450  1.0 1.0
   61    69    77    47  -0.61700 -1.0 2.0
   61    69    77    47  -0.23550  1.0 3.0
   61    69   -77    53   0.00000  1.0 1.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    77   0.22950  1.0 3.0
   62    61   -72    57   0.28000  1.0 3.0
   62    61    72    73   0.20000  1.0 3.0
   69    61   -72    57  -0.35450  1.0 1.0
   69    61   -72    57   0.44050 -1.0 2.0
   69    61   -72    57   0.77100  1.0 3.0
   69    61    72    73   0.03200  1.0 1.0
   69    61    72    73   0.33800 -1.0 2.0
   70    69    77    47   0.00000  1.0 1.0
   70    69    77    53   0.00000  1.0 1.0
   71    69    77    47   0.00000  1.0 1.0
   71    69    77    53   0.00000  1.0 1.0
   77    47    48    49   7.00000 -1.0 2.0
   77    47   -48    51   7.00000 -1.0 2.0
   77    53    57    58   0.22950  1.0 3.0
   77    53   -57    61   1.26750  1.0 1.0
   77    53   -57    61  -0.00950 -1.0 2.0
   77    53   -57    61   0.30600  1.0 3.0
   77    53    57    72   4.29400  1.0 1.0
   77    53    57    72   0.12050 -1.0 2.0
   77    53    59    63  -0.25000  1.0 1.0
   77    53    59    63  -0.75000 -1.0 2.0
   77    53    59    63   0.50000  1.0 3.0
   72    57   -61    62   0.15000  1.0 3.0
   72    57   -61    69   1.53400  1.0 1.0
   72    57   -61    69  -0.09950 -1.0 2.0
   72    57   -61    69   0.05700  1.0 3.0
   72    61    69    70   0.15000  1.0 3.0
   72    61    69    71   0.15000  1.0 3.0
   72    61   -69    77   4.29400  1.0 1.0
   72    61   -69    77   0.12050 -1.0 2.0
   59    53    57    58   0.23400  1.0 3.0
   59    53    57    61  -0.26800  1.0 1.0
   59    53    57    61   0.69150 -1.0 2.0
   59    53    57    61  -0.48750  1.0 3.0
   59    53    57    72   2.01850  1.0 1.0
   59    53    57    72  -0.32950 -1.0 2.0
   59    53    57    72  -0.50350  1.0 3.0
   59    53    77    47   0.75000  1.0 1.0
   59    53    77    47  -0.75000 -1.0 2.0
   59    53    77    69   0.00000  1.0 1.0
   54    51    53    57   0.47050  1.0 1.0
   54    51    53    57   0.03900 -1.0 2.0
   54    51    53    57   0.20100  1.0 3.0
   54    51    53    77   1.26750  1.0 1.0
   54    51    53    77  -0.00950 -1.0 2.0
   54    51    53    77   0.30600  1.0 3.0
   54    51    53    59   0.62750  1.0 1.0
   54    51    53    59  -0.30950 -1.0 2.0
   54    51    53    59   0.27300  1.0 3.0
   54    60    67    68   3.00000 -1.0 2.0
   54    60    67    74  -0.80800  1.0 1.0
   54    60    67    74   2.06850 -1.0 2.0
   55    54    60    67   0.08050  1.0 3.0
   56    54    60    67   0.08050  1.0 3.0
   60    67    74    75   2.56700 -1.0 2.0
   60    67    74    76   2.56700 -1.0 2.0
   68    67    74    75   2.45000 -1.0 2.0
   68    67    74    76   2.45000 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    47   7.00000 -1.0 2.0
   38    33    37    41   0.90200  1.0 1.0
   38    33    37    41   0.57900 -1.0 2.0
   38    33    37    41  -0.62100  1.0 3.0
   38    33    37    43   0.52100  1.0 1.0
   38    33    37    43  -0.20350 -1.0 2.0
   38    33    37    43   0.29750  1.0 3.0
   38    33    49    48   0.65300  1.0 1.0
   38    33    49    48  -0.03850 -1.0 2.0
   38    33    49    48   0.33900  1.0 3.0
   38    33    49    50   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   41    77    47    48   1.10000 -1.0 2.0
   49    51    48    47   1.10000 -1.0 2.0
   33    48    49    50  10.50000 -1.0 2.0
   69    47    77    53   1.00000 -1.0 2.0
   60    74    67    68  10.50000 -1.0 2.0
   76    67    74    75   1.00000 -1.0 2.0
END
